[(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone

C23H15F3N6O3 — CID 169163762

About [(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone

[(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 169163762) has the molecular formula C23H15F3N6O3 and a molecular weight of 480.41 g/mol. Its IUPAC name is [(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

• Compound Name: [(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
• PubChem CID: 169163762
• Molecular Formula: C23H15F3N6O3
• Molecular Weight: 480.41 g/mol
• Exact Mass: 480.12
• IUPAC Name: [(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
• SMILES: O=C(c1nnc(-c2ncccc2F)o1)N1CCc2[nH]cnc2[C@@H]1c1oc2ccccc2c1C(F)F
• InChI: InChI=1S/C23H15F3N6O3/c24-12-5-3-8-27-16(12)21-30-31-22(35-21)23(33)32-9-7-13-17(29-10-28-13)18(32)19-15(20(25)26)11-4-1-2-6-14(11)34-19/h1-6,8,10,18,20H,7,9H2,(H,28,29)/t18-/m1/s1
• InChIKey: WDPXXASFUUFHNQ-GOSISDBHSA-N
• XLogP: 4.47
• TPSA: 113.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.41
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone?

The IUPAC name of [(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone (CID 169163762) is [(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone.

What is the SMILES notation for [(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone?

The canonical SMILES for [(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone is O=C(c1nnc(-c2ncccc2F)o1)N1CCc2[nH]cnc2[C@@H]1c1oc2ccccc2c1C(F)F.

What is the InChIKey of [(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone?

The InChIKey is WDPXXASFUUFHNQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H15F3N6O3/c24-12-5-3-8-27-16(12)21-30-31-22(35-21)23(33)32-9-7-13-17(29-10-28-13)18(32)19-15(20(25)26)11-4-1-2-6-14(11)34-19/h1-6,8,10,18,20H,7,9H2,(H,28,29)/t18-/m1/s1.

What are the key properties of [(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone?

[(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 480.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 169163762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).